# generated using pymatgen
data_MnV2Fe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39615986
_cell_length_b   9.76558011
_cell_length_c   13.68845462
_cell_angle_alpha   103.55473000
_cell_angle_beta   90.00001351
_cell_angle_gamma   90.00011410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Fe2H32C12(NO2)6
_chemical_formula_sum   'Mn2 V4 Fe4 H64 C24 N12 O24'
_cell_volume   1221.05316807
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  V  V0  1  0.08846828  0.86069805  0.73216718  1
  V  V1  1  0.58846950  0.63929933  0.76783335  1
  V  V2  1  0.91152969  0.13930019  0.26783195  1
  V  V3  1  0.41152930  0.36070351  0.23216834  1
  Fe  Fe4  1  0.93708246  0.54987301  0.72846496  1
  Fe  Fe5  1  0.43708336  0.95012293  0.77153452  1
  Fe  Fe6  1  0.06292111  0.45012669  0.27153900  1
  Fe  Fe7  1  0.56291823  0.04987665  0.22846263  1
  Mn  Mn8  1  0.00000077  0.99999845  0.99999901  1
  Mn  Mn9  1  0.50000209  0.50000269  0.50000168  1
  H  H10  1  0.18214662  0.19375005  0.08864406  1
  H  H11  1  0.68214741  0.30625298  0.41135540  1
  H  H12  1  0.81785119  0.80625531  0.91135610  1
  H  H13  1  0.31784910  0.69374335  0.58864351  1
  H  H14  1  0.26828848  0.09857202  0.98808564  1
  H  H15  1  0.76828826  0.40142864  0.51191461  1
  H  H16  1  0.73171175  0.90143143  0.01191613  1
  H  H17  1  0.23171272  0.59856740  0.48808287  1
  H  H18  1  0.56959348  0.38116314  0.86959472  1
  H  H19  1  0.06959676  0.11883345  0.63040627  1
  H  H20  1  0.43040581  0.61883652  0.13040518  1
  H  H21  1  0.93040320  0.88116654  0.36959332  1
  H  H22  1  0.46616623  0.17345097  0.89221081  1
  H  H23  1  -0.03383420  0.32654037  0.60779069  1
  H  H24  1  0.53383122  0.82654814  0.10778742  1
  H  H25  1  1.03383441  0.67345988  0.39221019  1
  H  H26  1  0.75049777  0.03659800  0.85477842  1
  H  H27  1  0.25049489  0.46339407  0.64521783  1
  H  H28  1  0.24950824  0.96339514  0.14521546  1
  H  H29  1  0.74951004  0.53660932  0.35478547  1
  H  H30  1  0.90061265  0.09334139  0.79610917  1
  H  H31  1  0.40060935  0.40666515  0.70389468  1
  H  H32  1  0.09939248  0.90666626  0.20389233  1
  H  H33  1  0.59939361  0.59333102  0.29610634  1
  H  H34  1  0.20088665  0.33222833  0.97295638  1
  H  H35  1  0.70088818  0.16776939  0.52704046  1
  H  H36  1  0.79911098  0.66777191  0.02703951  1
  H  H37  1  0.29911152  0.83222991  0.47296179  1
  H  H38  1  0.16159141  0.18542248  0.87392914  1
  H  H39  1  0.66159255  0.31457321  0.62606992  1
  H  H40  1  0.83840477  0.81457580  0.12606957  1
  H  H41  1  0.33840563  0.68542722  0.37393045  1
  H  H42  1  0.58086923  0.37312986  0.04548095  1
  H  H43  1  0.08087157  0.12687173  0.45451961  1
  H  H44  1  0.41912772  0.62687072  0.95451826  1
  H  H45  1  0.91912741  0.87313042  0.54548045  1
  H  H46  1  0.73584584  0.44230726  0.00238762  1
  H  H47  1  0.23584669  0.05769189  0.49761400  1
  H  H48  1  0.26415323  0.55769348  0.99761495  1
  H  H49  1  0.76415309  0.94230879  0.50238405  1
  H  H50  1  0.79516560  0.26815713  0.10070459  1
  H  H51  1  0.29517093  0.23184292  0.39929826  1
  H  H52  1  0.20483010  0.73184089  0.89929668  1
  H  H53  1  0.70482887  0.76816045  0.60070224  1
  H  H54  1  0.68986529  0.13741227  0.02241183  1
  H  H55  1  0.18986775  0.36258857  0.47759147  1
  H  H56  1  0.31013413  0.86258860  0.97758924  1
  H  H57  1  0.81013493  0.63741310  0.52240953  1
  H  H58  1  0.79586883  0.32260258  0.80075838  1
  H  H59  1  0.29587221  0.17739529  0.69924219  1
  H  H60  1  0.20413252  0.67739833  0.19924270  1
  H  H61  1  0.70412891  0.82260311  0.30075623  1
  H  H62  1  0.67484408  0.18675687  0.74742870  1
  H  H63  1  0.17484589  0.31324187  0.75257257  1
  H  H64  1  0.32515802  0.81324894  0.25257057  1
  H  H65  1  0.82515559  0.68675330  0.24742888  1
  H  H66  1  0.96008759  0.42250318  0.10544154  1
  H  H67  1  0.46008624  0.07750556  0.39456087  1
  H  H68  1  0.03991476  0.57751106  0.89457053  1
  H  H69  1  0.53991602  0.92248223  0.60542694  1
  H  H70  1  0.96456358  0.37603786  0.92736657  1
  H  H71  1  0.46456309  0.12395071  0.57261945  1
  H  H72  1  0.03543420  0.62396116  0.07262987  1
  H  H73  1  0.53543495  0.87604360  0.42737548  1
  C  C74  1  0.81565517  0.12845839  0.85125413  1
  C  C75  1  0.31565898  0.37153946  0.64874743  1
  C  C76  1  0.18434309  0.87154055  0.14874500  1
  C  C77  1  0.68434128  0.62846079  0.35125390  1
  C  C78  1  0.13411337  0.23742360  0.95218835  1
  C  C79  1  0.63411462  0.26257471  0.54781003  1
  C  C80  1  0.86588416  0.76257775  0.04781020  1
  C  C81  1  0.36588535  0.73742229  0.45218966  1
  C  C82  1  0.67068416  0.34564721  0.99318527  1
  C  C83  1  0.17068614  0.15435257  0.50681616  1
  C  C84  1  0.32931426  0.65435348  0.00681499  1
  C  C85  1  0.82931329  0.84564811  0.49318378  1
  C  C86  1  0.75565209  0.23035855  0.02399524  1
  C  C87  1  0.25565458  0.26964263  0.47600724  1
  C  C88  1  0.24434662  0.76964198  0.97600479  1
  C  C89  1  0.74434717  0.73035835  0.52399391  1
  C  C90  1  0.72663191  0.23956301  0.81801626  1
  C  C91  1  0.22663468  0.26043455  0.68198524  1
  C  C92  1  0.27336869  0.76043870  0.18198437  1
  C  C93  1  0.77336559  0.73956421  0.31801479  1
  C  C94  1  0.98482150  0.28143737  0.95713364  1
  C  C95  1  0.48482153  0.21855654  0.54286155  1
  C  C96  1  0.01517780  0.71855796  0.04286280  1
  C  C97  1  0.51518077  0.78144868  0.45713995  1
  N  N98  1  0.87535753  0.18296448  0.95380533  1
  N  N99  1  0.37536184  0.31703518  0.54619648  1
  N  N100  1  0.12463905  0.81703420  0.04619388  1
  N  N101  1  0.62463705  0.68296481  0.45380595  1
  N  N102  1  0.16978065  0.13836350  0.01509418  1
  N  N103  1  0.66978103  0.36163727  0.48490679  1
  N  N104  1  0.83021877  0.86164014  0.98490628  1
  N  N105  1  0.33021873  0.63835992  0.51509274  1
  N  N106  1  0.61767911  0.29788803  0.89138693  1
  N  N107  1  0.11768144  0.20210944  0.60861437  1
  N  N108  1  0.38232050  0.70211142  0.10861285  1
  N  N109  1  0.88231853  0.79789117  0.39138570  1
  O  O110  1  0.05347570  0.90715016  0.86189629  1
  O  O111  1  0.55348097  0.59285026  0.63810388  1
  O  O112  1  0.94652209  0.09284350  0.13810295  1
  O  O113  1  0.44651866  0.40715733  0.36189762  1
  O  O114  1  0.00671221  0.97556874  0.67570573  1
  O  O115  1  0.50670893  0.52442717  0.82429224  1
  O  O116  1  0.99328820  0.02443219  0.32429448  1
  O  O117  1  0.49328800  0.47557543  0.17570866  1
  O  O118  1  0.89196529  0.40147555  0.61838382  1
  O  O119  1  0.39196582  0.09851647  0.88161736  1
  O  O120  1  0.10803762  0.59852771  0.38161780  1
  O  O121  1  0.60803442  0.90148053  0.11838064  1
  O  O122  1  0.02909953  0.69025890  0.67599249  1
  O  O123  1  0.52910512  0.80973942  0.82400765  1
  O  O124  1  0.97089383  0.30974216  0.32400584  1
  O  O125  1  0.47089412  0.19026254  0.17599446  1
  O  O126  1  0.27291512  0.85557948  0.70658586  1
  O  O127  1  0.77291541  0.64441209  0.79341869  1
  O  O128  1  0.72708341  0.14441631  0.29341714  1
  O  O129  1  0.22708352  0.35558615  0.20658025  1
  O  O130  1  0.03902627  0.50018364  0.83423814  1
  O  O131  1  0.53902528  0.99981449  0.66576279  1
  O  O132  1  0.96097830  0.49982219  0.16576711  1
  O  O133  1  0.46097848  0.00018108  0.33423566  1
